CID 3023952

94200-27-8

Structural Information

Molecular Formula
C20H34O
SMILES
CC1=CCC(C1(C)C)CCC(CO)C2CC=C(C2(C)C)C
InChI
InChI=1S/C20H34O/c1-14-7-10-17(19(14,3)4)11-9-16(13-21)18-12-8-15(2)20(18,5)6/h7-8,16-18,21H,9-13H2,1-6H3
InChIKey
FATSIAZXFSKJQU-UHFFFAOYSA-N
Compound name
2,4-bis(2,2,3-trimethylcyclopent-3-en-1-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 171.6
[M+Na]+ 313.250178 178.4
[M-H]- 289.253684 177.2
[M+NH4]+ 308.294783 194.9
[M+K]+ 329.224118 174.3
[M+H-H2O]+ 273.258220 167.9
[M+HCOO]- 335.259161 190.4
[M+CH3COO]- 349.274811 205.0
[M+Na-2H]- 311.235626 168.5
[M]+ 290.26041142 172.8
[M]- 290.26150858 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.